@MOLECULE 5'-o-thiophosphonoinosine 36 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 3.5860 2.5232 -0.9666 S.3 1 UNL1 0.0077 2 P 3.5677 0.9556 0.0326 P.3 1 UNL1 0.3118 3 O 0.6254 -1.3660 1.0289 O.3 1 UNL1 -0.4170 4 O -2.0005 -3.2444 -0.2564 O.3 1 UNL1 -0.5525 5 O 0.4556 -4.2154 -0.0628 O.3 1 UNL1 -0.5300 6 O 3.1489 -0.4930 -0.5786 O.3 1 UNL1 -0.4114 7 O 4.9996 0.4616 0.5323 O.3 1 UNL1 -0.3328 8 O 2.6648 1.0293 1.3492 O.3 1 UNL1 -0.4189 9 O -4.2510 3.3669 -0.2235 O.2 1 UNL1 -0.3649 10 N -1.3042 -0.1205 0.6304 N.ar 1 UNL1 -0.4059 11 N -1.5266 2.1353 0.6312 N.ar 1 UNL1 -0.2776 12 N -3.6451 -0.6880 -0.0784 N.ar 1 UNL1 -0.5181 13 N -5.0107 1.2328 -0.4826 N.ar 1 UNL1 -0.5359 14 C -0.9757 -2.3281 -0.4777 C.3 1 UNL1 0.0271 15 C -0.7642 -1.4601 0.8069 C.3 1 UNL1 0.2395 16 C 0.4185 -2.9663 -0.7029 C.3 1 UNL1 0.0539 17 C 1.3681 -1.9495 -0.0491 C.3 1 UNL1 0.0097 18 C 1.8464 -0.8546 -1.0171 C.3 1 UNL1 -0.0240 19 C -2.6090 0.1665 0.2413 C.ar 1 UNL1 0.2077 20 C -0.6830 1.1377 0.8757 C.ar 1 UNL1 0.1205 21 C -2.7309 1.5753 0.2342 C.ar 1 UNL1 -0.1656 22 C -3.9962 2.1974 -0.1534 C.ar 1 UNL1 0.5950 23 C -4.8490 -0.0455 -0.4496 C.ar 1 UNL1 0.3134 24 H -1.3138 -1.7320 -1.3546 H 1 UNL1 0.1721 25 H -1.1844 -1.9264 1.7349 H 1 UNL1 0.1677 26 H 0.6352 -3.2130 -1.7618 H 1 UNL1 0.1759 27 H 2.2292 -2.4342 0.4690 H 1 UNL1 0.1786 28 H 1.0991 -0.0394 -1.1001 H 1 UNL1 0.1516 29 H 2.0364 -1.2636 -2.0354 H 1 UNL1 0.1458 30 H -1.6383 -4.1275 0.0151 H 1 UNL1 0.3591 31 H 0.6283 -4.1233 0.9021 H 1 UNL1 0.3282 32 H 0.3358 1.2227 1.2253 H 1 UNL1 0.2213 33 H -3.5141 -1.6904 -0.0965 H 1 UNL1 0.3441 34 H -5.6725 -0.7316 -0.7119 H 1 UNL1 0.1913 35 H 4.9725 -0.4955 0.8841 H 1 UNL1 0.3107 36 H 2.3595 0.1205 1.6773 H 1 UNL1 0.3219 @BOND 1 29 18 1 2 26 16 1 3 24 14 1 4 28 18 1 5 18 6 1 6 18 17 1 7 1 2 1 8 34 23 1 9 16 14 1 10 16 5 1 11 16 17 1 12 6 2 1 13 13 23 ar 14 13 22 ar 15 14 4 1 16 14 15 1 17 23 12 ar 18 4 30 1 19 9 22 2 20 22 21 ar 21 33 12 1 22 12 19 ar 23 5 31 1 24 17 27 1 25 17 3 1 26 2 7 1 27 2 8 1 28 21 19 ar 29 21 11 ar 30 19 10 ar 31 7 35 1 32 10 15 1 33 10 20 ar 34 11 20 ar 35 15 3 1 36 15 25 1 37 20 32 1 38 8 36 1